SCHEMBL20393944

SCHEMBL20393944

COc1cc(CN(C2CCCCC2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 1.00
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ LMNA P02545 4/20 0.54
▸ HSD17B10 Q99714 2/20 0.53
▸ CNR1 P21554 2/20 0.53
▸ CNR2 P34972 2/20 0.53
▸ HTT P42858 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ HIF1A Q16665 6/20 0.49
▸ EPAS1 Q99814 5/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ USP2 O75604 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ ATM Q13315 2/20 0.48
▸ EP300 Q09472 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20388025 0.79 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2LMNAHSD17B10CNR1
SCHEMBL2336091 0.78 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2LMNAHSD17B10CNR1
SCHEMBL20393935 0.77 MEN1 (0.69) ALDH1A1LMNACNR1CNR2MEN1
SCHEMBL13979925 0.74 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2LMNACNR1CNR2
SCHEMBL18112914 0.72 MAPT (0.63) ALDH1A1SMN1; SMN2LMNAHTTTSHR
SCHEMBL20393941 0.72 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNAHTTCRHBP
SCHEMBL20404463 0.72 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNAHTTCRHBP
SCHEMBL12188831 0.71 HTR2A (0.72) ALDH1A1SMN1; SMN2LMNAHSD17B10HTT
SCHEMBL11685215 0.70 ALDH1A1 (0.53) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL400238 0.70 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNAHSD17B10HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913710-B2 Benzene disulfonamide for the treatment of cancer MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V (DE) 2021-02-09 — — US disclosed
US-10913710-B2 Benzene disulfonamide for the treatment of cancer MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V (DE) 2021-02-09 — — US disclosed
EP-3351544-A1 BENZENE DISULFONAMIDE FOR THE TREATMENT OF CANCER Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-07-25 — — EP disclosed
EP-3351544-A1 BENZENE DISULFONAMIDE FOR THE TREATMENT OF CANCER Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-07-25 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10913710-B2 Benzene disulfonamide for the treatment of cancer DUSP6, DUSP26, RASSF2 ALDH1A1 637/4885SMN1; SMN2 4153/4885LMNA 3515/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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